N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide

C12H11FN2O3S2 — CID 43443998

IUPACN-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide
SMILESNc1cc(NC(=O)CS(=O)(=O)c2cccs2)ccc1F
InChIInChI=1S/C12H11FN2O3S2/c13-9-4-3-8(6-10(9)14)15-11(16)7-20(17,18)12-2-1-5-19-12/h1-6H,7,14H2,(H,15,16)
InChIKeyNEMUCIFYMIEWMK-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.88
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide

N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide (PubChem CID 43443998) has the molecular formula C12H11FN2O3S2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide
PubChem CID43443998
Molecular FormulaC12H11FN2O3S2
Molecular Weight314.36 g/mol
Exact Mass314.02
IUPAC NameN-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide
SMILESNc1cc(NC(=O)CS(=O)(=O)c2cccs2)ccc1F
InChIInChI=1S/C12H11FN2O3S2/c13-9-4-3-8(6-10(9)14)15-11(16)7-20(17,18)12-2-1-5-19-12/h1-6H,7,14H2,(H,15,16)
InChIKeyNEMUCIFYMIEWMK-UHFFFAOYSA-N
XLogP1.88
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443995
N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43444010
N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide
CID 43444152
N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43444002
N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446249
(3-amino-4-fluorophenyl)urea
CID 16776521
methyl 2-[3-(3-amino-4-fluoroanilino)-3-oxopropyl]sulfonylacetate
CID 43618130
N-(3-amino-4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 76932979
N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 3238020
N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
CID 43443981
2-[[2-(3-amino-4-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374534
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
CID 42100169

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide (CID 43443998) is N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide is Nc1cc(NC(=O)CS(=O)(=O)c2cccs2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide?
The InChIKey is NEMUCIFYMIEWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S2/c13-9-4-3-8(6-10(9)14)15-11(16)7-20(17,18)12-2-1-5-19-12/h1-6H,7,14H2,(H,15,16).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide?
N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide has a molecular weight of 314.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 43443998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).